4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine

C9H14N6S2 — CID 103361244

IUPAC4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCc1nncn1C
InChIInChI=1S/C9H14N6S2/c1-15-5-12-13-6(15)3-4-11-9-7(16-2)8(10)14-17-9/h5,11H,3-4H2,1-2H3,(H2,10,14)
InChIKeySZLZABUTHNVGRO-UHFFFAOYSA-N
MW270.39 g/mol
LogP1.23
Rot. Bonds5

About 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine

4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103361244) has the molecular formula C9H14N6S2 and a molecular weight of 270.39 g/mol. Its IUPAC name is 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103361244
Molecular FormulaC9H14N6S2
Molecular Weight270.39 g/mol
Exact Mass270.07
IUPAC Name4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCc1nncn1C
InChIInChI=1S/C9H14N6S2/c1-15-5-12-13-6(15)3-4-11-9-7(16-2)8(10)14-17-9/h5,11H,3-4H2,1-2H3,(H2,10,14)
InChIKeySZLZABUTHNVGRO-UHFFFAOYSA-N
XLogP1.23
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103380246
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol
CID 103363776
4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103378191
3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carboxylic acid
CID 79401907
2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 102768451
5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360334
5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359144
5-N-[4-(dimethylamino)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360361
2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242108
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 63330580
5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine
CID 83266029
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 102824217

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 103361244) is 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCCc1nncn1C.
What is the InChIKey of 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is SZLZABUTHNVGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S2/c1-15-5-12-13-6(15)3-4-11-9-7(16-2)8(10)14-17-9/h5,11H,3-4H2,1-2H3,(H2,10,14).
What are the key properties of 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 270.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).